SCHEMBL7620150

SCHEMBL7620150

COc1ccc(OC)c(NC(=O)N(O)C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 3/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20540194 0.82 NPSR1 (0.64) KMT2AMEN1HTTNPSR1GAA
SCHEMBL7614000 0.81 KMT2A (0.58) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14254863 0.79 KMT2A (0.68) KMT2AMEN1HTTNPSR1GAA
SCHEMBL19427718 0.78 MAPT (0.79) KMT2AMEN1HTTNPSR1GAA
SCHEMBL6351717 0.78 KMT2A (0.66) KMT2AMEN1HTTNPSR1GAA
SCHEMBL7610484 0.77 RAB9A (0.58) KMT2AMEN1HTTTP53MAPT
SCHEMBL23169213 0.77 NPSR1 (0.62) KMT2AMEN1HTTNPSR1GAA
SCHEMBL6005341 0.77 GAA (0.69) KMT2AMEN1HTTNPSR1GAA
SCHEMBL11660471 0.77 MAPT (0.70) KMT2AMEN1HTTNPSR1GAA
SCHEMBL2502603 0.77 MAPT (0.71) KMT2AMEN1HTTNPSR1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed